SCHEMBL31166254

SCHEMBL31166254

CCCOc1ccc(OC)c(C=O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.61
ERN1 O75460 4/20 0.59
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49
TUBA3E Q6PEY2 1/20 0.49
TUBA1A Q71U36 1/20 0.49
TUBA1C Q9BQE3 1/20 0.49
TUBB6 Q9BUF5 1/20 0.49
TUBB2B Q9BVA1 1/20 0.49
ALDH1A1 P00352 4/20 0.49
MAOB P27338 2/20 0.47
KDM4E B2RXH2 3/20 0.47
RAB9A P51151 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15728130 0.94 TUBB1 (0.61) TUBB1ERN1ALDH1A1MAOBKDM4E
SCHEMBL5885093 0.92 TUBB1 (0.59) TUBB1ERN1ALDH1A1MAOBKDM4E
SCHEMBL273429 0.92 ERN1 (0.52) TUBB1ERN1TUBB4ATUBBTUBA3C
SCHEMBL20892596 0.87 ALDH1A1 (0.67) TUBB1ERN1TUBB4ATUBBTUBA3C
SCHEMBL24765223 0.87 TUBB1 (0.64) TUBB1ERN1TUBB4ATUBBTUBA3C
SCHEMBL29965788 0.87 TUBB1 (0.64) TUBB1ERN1TUBB4ATUBBTUBA3C
SCHEMBL1790721 0.85 TUBB1 (0.50) TUBB1ERN1ALDH1A1KDM4ERAB9A
SCHEMBL18199319 0.83 ERN1 (0.50) ERN1ALDH1A1MAPTHPGDKMT2A
SCHEMBL6155824 0.82 TUBB1 (0.62) TUBB1ERN1ALDH1A1MAOBKDM4E
SCHEMBL22322037 0.82 TUBB1 (0.62) TUBB1ERN1ALDH1A1MAOBKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720030-A1 ASYMMETRIC PHENYLALKYLAMINES Alexander Shulgin Research Institute, Inc. (US) 2026-04-08 EP disclosed
WO-2024243599-A1 ASYMMETRIC PHENYLALKYLAMINES ALEXANDER SHULGIN RESEARCH INSTITUTE, INC. (US) 2024-11-28 WO disclosed